4-imino-5-(4-methoxyphenyl)-3-(2-methylpropyl)-5H-chromeno[2,3-d]pyrimidin-8-ol

C22H23N3O3 — CID 3919450

IUPAC4-imino-5-(4-methoxyphenyl)-3-(2-methylpropyl)-5H-chromeno[2,3-d]pyrimidin-8-ol
SMILES[H]/N=c1/c2c(ncn1CC(C)C)Oc1cc(O)ccc1C2c1ccc(OC)cc1
InChIInChI=1S/C22H23N3O3/c1-13(2)11-25-12-24-22-20(21(25)23)19(14-4-7-16(27-3)8-5-14)17-9-6-15(26)10-18(17)28-22/h4-10,12-13,19,23,26H,11H2,1-3H3/b23-21-
InChIKeyYGZSEDXWMNIVHF-LNVKXUELSA-N
MW377.44 g/mol
LogP4.02
Rot. Bonds4

About 4-imino-5-(4-methoxyphenyl)-3-(2-methylpropyl)-5H-chromeno[2,3-d]pyrimidin-8-ol

4-imino-5-(4-methoxyphenyl)-3-(2-methylpropyl)-5H-chromeno[2,3-d]pyrimidin-8-ol (PubChem CID 3919450) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-imino-5-(4-methoxyphenyl)-3-(2-methylpropyl)-5H-chromeno[2,3-d]pyrimidin-8-ol.

Molecular Properties

Compound Name4-imino-5-(4-methoxyphenyl)-3-(2-methylpropyl)-5H-chromeno[2,3-d]pyrimidin-8-ol
PubChem CID3919450
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name4-imino-5-(4-methoxyphenyl)-3-(2-methylpropyl)-5H-chromeno[2,3-d]pyrimidin-8-ol
SMILES[H]/N=c1/c2c(ncn1CC(C)C)Oc1cc(O)ccc1C2c1ccc(OC)cc1
InChIInChI=1S/C22H23N3O3/c1-13(2)11-25-12-24-22-20(21(25)23)19(14-4-7-16(27-3)8-5-14)17-9-6-15(26)10-18(17)28-22/h4-10,12-13,19,23,26H,11H2,1-3H3/b23-21-
InChIKeyYGZSEDXWMNIVHF-LNVKXUELSA-N
XLogP4.02
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-imino-5-(4-methoxyphenyl)-3-(2-methylpropyl)-5H-chromeno[2,3-d]pyrimidin-8-ol?
The IUPAC name of 4-imino-5-(4-methoxyphenyl)-3-(2-methylpropyl)-5H-chromeno[2,3-d]pyrimidin-8-ol (CID 3919450) is 4-imino-5-(4-methoxyphenyl)-3-(2-methylpropyl)-5H-chromeno[2,3-d]pyrimidin-8-ol.
What is the SMILES notation for 4-imino-5-(4-methoxyphenyl)-3-(2-methylpropyl)-5H-chromeno[2,3-d]pyrimidin-8-ol?
The canonical SMILES for 4-imino-5-(4-methoxyphenyl)-3-(2-methylpropyl)-5H-chromeno[2,3-d]pyrimidin-8-ol is [H]/N=c1/c2c(ncn1CC(C)C)Oc1cc(O)ccc1C2c1ccc(OC)cc1.
What is the InChIKey of 4-imino-5-(4-methoxyphenyl)-3-(2-methylpropyl)-5H-chromeno[2,3-d]pyrimidin-8-ol?
The InChIKey is YGZSEDXWMNIVHF-LNVKXUELSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-13(2)11-25-12-24-22-20(21(25)23)19(14-4-7-16(27-3)8-5-14)17-9-6-15(26)10-18(17)28-22/h4-10,12-13,19,23,26H,11H2,1-3H3/b23-21-.
What are the key properties of 4-imino-5-(4-methoxyphenyl)-3-(2-methylpropyl)-5H-chromeno[2,3-d]pyrimidin-8-ol?
4-imino-5-(4-methoxyphenyl)-3-(2-methylpropyl)-5H-chromeno[2,3-d]pyrimidin-8-ol has a molecular weight of 377.44 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-5-(4-methoxyphenyl)-3-(2-methylpropyl)-5H-chromeno[2,3-d]pyrimidin-8-ol is sourced from PubChem (CID 3919450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).